16: Triphenylsilyl acyl amine, iso, G = -1734.101205

DOI: 10.14469/hpc/12557 Metadata

Created: 2023-05-15 11:33

Last modified: 2023-05-15 17:55

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

FilenameSizeTypeDescription
triphenylsilimidate-13-8-6-2-2.gjf 4KB chemical/x-gaussian-input Gaussian input file
triphenylsilimidate-13-8-6-2-2.log 2MB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 105MB chemical/x-gaussian-checkpoint Formatted checkpoint file
opt.cml 9KB chemical/x-cml Optimised geometry
rawbinaryarray.baf 174MB chemical/x-rawbinaryarray Raw Binary Array File

Member of collection / collaboration

DOIDescription
10.14469/hpc/12480 On the Use of Triarylsilanols as Catalysts for Direct Amidation of Carboxylic Acids

Subject Keywords

KeywordValue
Gibbs_Energy -1734.101205
inchi InChI=1S/C34H31NOSi/c1-28-22-24-30(25-23-28)27-35(34(36)26-29-14-6-2-7-15-29)37(31-16-8-3-9-17-31,32-18-10-4-11-19-32)33-20-12-5-13-21-33/h2-25H,26-27H2,1H3
inchikey SOJMQJNDMXRINY-UHFFFAOYSA-N

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